%chk=000054643.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054643

0 1
 O   -8.304400      -1.020400      0.7154000    
 O   -2.884800       2.194700     -0.3961000    
 N   -5.826500     -2.0600000E-02 -0.2655000    
 N    2.591000       1.662900      0.3300000    
 N    2.708900     -0.3759000     -0.9280000    
 C   -6.994000     -0.1768000      -1.144200    
 C   -6.264900      0.2313000       1.114200    
 C   -4.960500       1.056800     -0.7397000    
 C   -7.888900      -1.297400     -0.6226000    
 C   -7.176100     -0.8997000       1.582400    
 C   -3.703100       1.148200      0.1100000    
 C   -1.532600       2.063600     -0.2165000    
 C  -0.6581000       2.622500      -1.141600    
 C   -1.048800       1.373100      0.8891000    
 C    1.211100       1.797900      0.1482000    
 C   0.7183000       2.489200     -0.9587000    
 C   0.3275000       1.239900       1.072000    
 C    3.254600      0.6490000     -0.1672000    
 C    4.725300      0.5160000      3.3399999E-02
 C    2.184400      -1.621300     -0.5186000    
 C    5.286000       1.034300       1.179400    
 C    5.469900     -0.1209000     -0.9345000    
 C    1.686900      -2.513100      -1.467600    
 C    2.164900      -1.956900      0.8345000    
 C    6.662600      0.9096000       1.367400    
 C    6.846500     -0.2457000     -0.7464000    
 C    7.442600      0.2697000      0.4046000    
 C    1.168300      -3.743100      -1.062800    
 C    1.646300      -3.187100       1.239100    
 C    1.148000      -4.080100      0.2905000    
 H   -6.673700     -0.4233000      -2.162900    
 H   -7.567300      0.7587000      -1.184500    
 H   -6.801700       1.186600       1.178800    
 H   -5.429300      0.2547000       1.818200    
 H   -5.478500       2.025400     -0.7449000    
 H   -4.660100      0.8695000      -1.779000    
 H   -8.788900      -1.374100      -1.241100    
 H   -7.380900      -2.269000     -0.6544000    
 H   -6.643700      -1.857800       1.625800    
 H   -7.552000     -0.6842000       2.587800    
 H   -3.925600       1.407600       1.148500    
 H   -3.191600      0.1770000      7.0799999E-02
 H   -1.037900       3.161100      -2.005000    
 H   -1.700200      0.9489000       1.646900    
 H    1.398900       2.926900      -1.684200    
 H   0.7016000      0.7090000       1.943400    
 H    2.683400     -0.2321000      -1.934500    
 H    4.692100       1.528800       1.942000    
 H    5.040500     -0.5171000      -1.849100    
 H    1.696400      -2.262900      -2.525400    
 H    2.547800      -1.281200       1.594200    
 H    7.126800       1.309500       2.264200    
 H    7.455100     -0.7405000      -1.497700    
 H    8.514500      0.1730000      0.5507000    
 H   0.7801000      -4.438500      -1.801400    
 H    1.630600      -3.449800       2.292800    
 H   0.7443000      -5.037700      0.6057000    


%chk=000054643-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054643

0 1
O -9.148455 -0.104915 1.068799
O -3.191912 1.884327 -0.918932
N -6.598630 0.577770 -0.145171
N 2.389383 1.401551 -0.032556
N 2.676956 -0.873147 -0.736908
C -7.838761 0.484223 -0.958932
C -6.929927 0.993504 1.243883
C -5.547495 1.416812 -0.766875
C -8.813404 -0.510508 -0.306925
C -7.916690 -0.005779 1.868938
C -4.154351 0.932303 -0.342328
C -1.826893 1.663409 -0.667464
C -0.939533 2.625353 -1.213727
C -1.312617 0.579595 0.086745
C 0.988109 1.406967 -0.278040
C 0.443974 2.504498 -1.008166
C 0.082159 0.450983 0.268068
C 3.145313 0.324268 -0.152488
C 4.585974 0.438014 0.227160
C 3.034812 -2.221875 -0.464199
C 4.952690 1.334971 1.264023
C 5.600098 -0.274906 -0.465551
C 2.655470 -3.217959 -1.406169
C 3.703356 -2.615126 0.727377
C 6.308056 1.504219 1.615135
C 6.956254 -0.097773 -0.117906
C 7.315140 0.785793 0.927096
C 2.945014 -4.576751 -1.164393
C 4.003379 -3.975728 0.948922
C 3.628763 -4.966275 0.011273
H -7.577870 0.129405 -1.973778
H -8.344964 1.477216 -1.058049
H -7.384549 2.016180 1.260275
H -6.007591 1.024026 1.853166
H -5.652165 2.497983 -0.511497
H -5.625985 1.335197 -1.866042
H -9.773751 -0.540194 -0.847654
H -8.356307 -1.523595 -0.297649
H -7.436016 -1.005107 1.944035
H -8.241083 0.326843 2.868790
H -4.051261 0.918443 0.762122
H -3.970614 -0.089117 -0.729331
H -1.357254 3.463547 -1.779894
H -1.978198 -0.163079 0.536945
H 1.134313 3.257586 -1.400541
H 0.467175 -0.378433 0.872175
H 1.821358 -0.756173 -1.290847
H 4.160620 1.898536 1.767118
H 5.330330 -0.952639 -1.281351
H 2.142144 -2.921174 -2.329287
H 3.980143 -1.867025 1.475260
H 6.580455 2.195912 2.420017
H 7.732123 -0.646498 -0.663070
H 8.368600 0.916883 1.199109
H 2.643088 -5.330429 -1.900368
H 4.522395 -4.263254 1.870262
H 3.859729 -6.020657 0.195294


